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Information card for entry 2018529
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| Coordinates | 2018529.cif |
|---|---|
| Structure factors | 2018529.hkl |
| Original IUCr paper | HTML |
| Common name | <i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide |
|---|---|
| Chemical name | <i>rac</i>-<i>cis</i>-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid |
| Formula | C14 H16 F N O3 |
| Calculated formula | C14 H16 F N O3 |
| Title of publication | Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines |
| Authors of publication | Smith, Graham; Wermuth, Urs D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o253 - o256 |
| a | 11.3688 ± 0.0008 Å |
| b | 8.7802 ± 0.0006 Å |
| c | 12.7989 ± 0.001 Å |
| α | 90° |
| β | 93.436 ± 0.007° |
| γ | 90° |
| Cell volume | 1275.29 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180854 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018529.cif 2018529.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018529.cif 2018529.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018529.cif 2018529.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018529.cif 2018529.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018529.cif 2018529.hkl |
| 63872 | 2012-08-10 | cif/ Adding structures of 2018528, 2018529, 2018530 via cif-deposit CGI script. |
2018529.cif |
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Users of the data should acknowledge the original authors of the
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